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ZOULLTVSMHWYPC-UHFFFAOYSA-N
SpectraBase Compound ID AWHofO1iVVS
InChI InChI=1S/C21H17N5O.ClH/c1-25(2)13-9-11-26(12-10-13)21-23-17-8-7-16-18(19(17)24-21)20(27)14-5-3-4-6-15(14)22-16;/h3-12H,1-2H3,(H-,22,23,24,27);1H
InChIKey ZOULLTVSMHWYPC-UHFFFAOYSA-N
Mol Weight 391.86 g/mol
Molecular Formula C21H18ClN5O
Exact Mass 391.119988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jOYWkZs037
Name ZOULLTVSMHWYPC-UHFFFAOYSA-N
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClN5O
InChI InChI=1S/C21H17N5O.ClH/c1-25(2)13-9-11-26(12-10-13)21-23-17-8-7-16-18(19(17)24-21)20(27)14-5-3-4-6-15(14)22-16;/h3-12H,1-2H3,(H-,22,23,24,27);1H
InChIKey ZOULLTVSMHWYPC-UHFFFAOYSA-N
Literature Reference Author J.P.GALY,J.P.HANOUN,V.PIQUE,N.JAGEROVIC,J.ELGUERO
Literature Reference Citation J.HETCYCL.CHEM.,34,1781(1997)
Literature Reference DOI 10.1002/jhet.5570340623
Molecular Weight 391.860 g/mol
Solvent DMSO-D6
Source File Reference UWSW481